ChemSpider 2D Image | MYO-INOSITOL TRISPYROPHOSPHATE | C6H12O21P6

MYO-INOSITOL TRISPYROPHOSPHATE

  • Molecular FormulaC6H12O21P6
  • Average mass605.990 Da
  • Monoisotopic mass605.829651 Da
  • ChemSpider ID32698847
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(5aR,5bR,10aR,10bR,15aR,15bS) 2,4,7,9,12,14-Hexaoxyde de hexahydrobis[1,3,5,2,4]trioxadiphosphépino[6,7-g:6',7'-i][1,3,5,2,4]benzotrioxadiphosphépine-2,4,7,9,12,14-hexol [French] [ACD/IUPAC Name]
(5aR,5bR,10aR,10bR,15aR,15bS)Hexahydrobis[1,3,5,2,4]trioxadiphosphepino[6,7-g:6',7'-i][1,3,5,2,4]benzotrioxadiphosphepin-2,4,7,9,12,14-hexol-2,4,7,9,12,14-hexaoxid [German] [ACD/IUPAC Name]
(5aR,5bR,10aR,10bR,15aR,15bS)Hexahydrobis[1,3,5,2,4]trioxadiphosphepino[6,7-g:6',7'-i][1,3,5,2,4]benzotrioxadiphosphepine-2,4,7,9,12,14-hexol 2,4,7,9,12,14-hexaoxide [ACD/IUPAC Name]
802590-64-3 [RN]
Bis[1,3,5,2,4]trioxadiphosphepino[6,7-g:6',7'-i]-1,3,5,2,4-benzotrioxadiphosphepin, hexahydro-2,4,7,9,12,14-hexahydroxy-, 2,4,7,9,12,14-hexaoxide, (5aR,5bR,10aR,10bR,15aR,15bS)- [ACD/Index Name]
MYO-INOSITOL TRISPYROPHOSPHATE

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

116EYZ0PPX [DBID]
UNII:116EYZ0PPX [DBID]
UNII-116EYZ0PPX [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.4±0.1 g/cm3
Boiling Point: 862.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.0±6.0 kJ/mol
Flash Point: 475.3±37.1 °C
Index of Refraction: 1.609
Molar Refractivity: 86.9±0.4 cm3
#H bond acceptors: 21
#H bond donors: 6
#Freely Rotating Bonds: 0
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 366 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 134.0±5.0 dyne/cm
Molar Volume: 250.8±5.0 cm3

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